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2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

HCID 25149602
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NCc1ccccc1CO)C(F)(F)F
InChIKey
WAEHOWZNXXNUFF-UHFFFAOYSA-N
Molecular formula
C10H10F3NO2
Average molar mass
233.19 g/mol

Names & identifiers

Preferred name
2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
IUPAC
2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

Names & synonyms

SCHEMBL2778215WAEHOWZNXXNUFF-UHFFFAOYSA-N2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

Database identifiers

PubChem CID
25149602

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
243

Related reactions

2 records
New reaction record
HRID 1490753 reaction equation
HRID 1490753As reactantBorylation dataset from Roche
HRID 1490754 reaction equation
HRID 1490754As reactantBorylation dataset from Roche

Compound notes

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